2-(1,3-benzothiazol-2-ylamino)-N-[(E)-[(3S)-3-methylcyclohexylidene]amino]ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylamino)-N-[(E)-[(3S)-3-methylcyclohexylidene]amino]ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylamino)-N-[(E)-[(3S)-3-methylcyclohexylidene]amino]acetamide CAS Name: 2-(1,3-benzothiazol-2-ylamino)-N-[(E)-[(3S)-3-methylcyclohexylidene]amino]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylamino)-N-[(E)-[(3S)-3-methylcyclohexylidene]amino]acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylamino)-N-[(E)-[(3S)-3-methylcyclohexylidene]amino]acetamide Formula: C16H20N4OS MolecularWeight: 316.4212

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(=NNC(=O)CNC2=NC3=CC=CC=C3S2)C1

Isomeric SMILES

C[C@H]1CCC/C(=N\NC(=O)CNC2=NC3=CC=CC=C3S2)/C1

InChI

InChI=1S/C16H20N4OS/c1-11-5-4-6-12(9-11)19-20-15(21)10-17-16-18-13-7-2-3-8-14(13)22-16/h2-3,7-8,11H,4-6,9-10H2,1H3,(H,17,18)(H,20,21)/b19-12+/t11-/m0/s1